1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide

C26H23N3O3 — CID 54397574

IUPAC1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C1OC(c2cccc3ccccc23)=NC1=CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H23N3O3/c30-24(27-20-9-2-1-3-10-20)19-13-15-29(16-14-19)17-23-26(31)32-25(28-23)22-12-6-8-18-7-4-5-11-21(18)22/h1-12,17,19H,13-16H2,(H,27,30)
InChIKeyVLCGPKFMZQUQAK-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.34
Rot. Bonds4

About 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide

1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 54397574) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID54397574
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C1OC(c2cccc3ccccc23)=NC1=CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H23N3O3/c30-24(27-20-9-2-1-3-10-20)19-13-15-29(16-14-19)17-23-26(31)32-25(28-23)22-12-6-8-18-7-4-5-11-21(18)22/h1-12,17,19H,13-16H2,(H,27,30)
InChIKeyVLCGPKFMZQUQAK-UHFFFAOYSA-N
XLogP4.34
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate
CID 70157718
4-[[2-(1-benzofuran-4-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-phenylpiperazine-1-carboxamide
CID 70157634
4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperazine-1-carboximidamide;hydrochloride
CID 70159076
2-naphthalen-1-yl-4-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
CID 54128564
4-[(E)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-phenylpiperazine-1-carboxamide
CID 70157831
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N'-(4-phenylmethoxyphenyl)piperazine-1-carboximidamide
CID 22629278
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210

Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide (CID 54397574) is 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide is O=C1OC(c2cccc3ccccc23)=NC1=CN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is VLCGPKFMZQUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-24(27-20-9-2-1-3-10-20)19-13-15-29(16-14-19)17-23-26(31)32-25(28-23)22-12-6-8-18-7-4-5-11-21(18)22/h1-12,17,19H,13-16H2,(H,27,30).
What are the key properties of 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide?
1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 54397574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).